| CAS Number | 1341440-61-6 |
| Catalog Number | AG01C2IM |
| Chemical Name | 3-tert-butyl-5-(chloromethyl)-4,5-dihydro-1,2-oxazole |
| IUPAC Name | 3-tert-butyl-5-(chloromethyl)-4,5-dihydro-1,2-oxazole |
| InChI | InChI=1S/C8H14ClNO/c1-8(2,3)7-4-6(5-9)11-10-7/h6H,4-5H2,1-3H3 |
| InChI Key | INXAKGGNNQAHGJ-UHFFFAOYSA-N |
| MDL Number | MFCD18073178 |
| Molecular Formula | C8H14ClNO |
| Molecular Weight | 175.6559 |
| SMILES | CC(C1CC(CCl)ON=1)(C)C |
| Synonyms | 3-tert-butyl-5-(chloromethyl)-4,5-dihydro-1,2-oxazole,
1341440-61-6,
AKOS013476867,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.656g/mol |
| Monoisotopic Mass | 175.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number